methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate

C11H15NO2S — CID 116865741

IUPACmethyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
SMILESCCc1nc(C2(C(=O)OC)CC2)sc1C
InChIInChI=1S/C11H15NO2S/c1-4-8-7(2)15-9(12-8)11(5-6-11)10(13)14-3/h4-6H2,1-3H3
InChIKeyRTHQKQKLOVUTGC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.22
Rot. Bonds3

About methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate

methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 116865741) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
PubChem CID116865741
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
SMILESCCc1nc(C2(C(=O)OC)CC2)sc1C
InChIInChI=1S/C11H15NO2S/c1-4-8-7(2)15-9(12-8)11(5-6-11)10(13)14-3/h4-6H2,1-3H3
InChIKeyRTHQKQKLOVUTGC-UHFFFAOYSA-N
XLogP2.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate
CID 116887037
methyl 1-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylate
CID 79733976
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclobutan-1-amine
CID 61334037
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61337483
methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
CID 116865720
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332758
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine
CID 106873373
ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate
CID 106678097
N-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thian-4-amine
CID 61330052
4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61330120
3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,1-dimethylpyrrolidin-3-amine
CID 62977540
N-ethyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiolan-3-amine
CID 61332756

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate (CID 116865741) is methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate is CCc1nc(C2(C(=O)OC)CC2)sc1C.
What is the InChIKey of methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is RTHQKQKLOVUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-4-8-7(2)15-9(12-8)11(5-6-11)10(13)14-3/h4-6H2,1-3H3.
What are the key properties of methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116865741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).